7-hydroxy-2,3-dihydro-1H-indene-4,5-dione

C9H8O3 — CID 130031115

IUPAC7-hydroxy-2,3-dihydro-1H-indene-4,5-dione
SMILESO=C1C=C(O)C2=C(CCC2)C1=O
InChIInChI=1S/C9H8O3/c10-7-4-8(11)9(12)6-3-1-2-5(6)7/h4,10H,1-3H2
InChIKeyXIRBMNZZEKSXSF-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.06
Rot. Bonds

About 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione

7-hydroxy-2,3-dihydro-1H-indene-4,5-dione (PubChem CID 130031115) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione.

Molecular Properties

Compound Name7-hydroxy-2,3-dihydro-1H-indene-4,5-dione
PubChem CID130031115
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name7-hydroxy-2,3-dihydro-1H-indene-4,5-dione
SMILESO=C1C=C(O)C2=C(CCC2)C1=O
InChIInChI=1S/C9H8O3/c10-7-4-8(11)9(12)6-3-1-2-5(6)7/h4,10H,1-3H2
InChIKeyXIRBMNZZEKSXSF-UHFFFAOYSA-N
XLogP1.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 14373787
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CID 175482341
1,2,3,4-tetrahydroanthracene-9,10-dione
CID 174898123
3-hydroxy-5-propan-2-ylcyclohexa-3,5-diene-1,2-dione
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3-bromo-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
CID 56599631
3-[5-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
CID 19757218
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
CID 10015477
2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one
CID 67640352
tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone
CID 10107799
2-methyl-4,5,6,7-tetrahydroinden-1-one
CID 142636804
4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione
CID 160751652

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione?
The IUPAC name of 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione (CID 130031115) is 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione.
What is the SMILES notation for 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione?
The canonical SMILES for 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione is O=C1C=C(O)C2=C(CCC2)C1=O.
What is the InChIKey of 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione?
The InChIKey is XIRBMNZZEKSXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-7-4-8(11)9(12)6-3-1-2-5(6)7/h4,10H,1-3H2.
What are the key properties of 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione?
7-hydroxy-2,3-dihydro-1H-indene-4,5-dione has a molecular weight of 164.16 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3-dihydro-1H-indene-4,5-dione is sourced from PubChem (CID 130031115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).